9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine

C94H70N8 — CID 158871700

IUPAC9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine
SMILESCc1cc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H32N4.C31H24N2.C17H14N2/c1-5-15-33(16-6-1)42-32-43(48-46(47-42)35-17-7-2-8-18-35)34-25-27-38(28-26-34)50-44-24-14-13-23-40(44)41-31-39(29-30-45(41)50)49(36-19-9-3-10-20-36)37-21-11-4-12-22-37;1-23-16-18-26(19-17-23)33-30-15-9-8-14-28(30)29-22-27(20-21-31(29)33)32(24-10-4-2-5-11-24)25-12-6-3-7-13-25;1-13-12-16(14-8-4-2-5-9-14)19-17(18-13)15-10-6-3-7-11-15/h1-32H;2-22H,1H3;2-12H,1H3
InChIKeyJBXQTADTCJYRRU-UHFFFAOYSA-N
MW1311.65 g/mol
LogP24.73
Rot. Bonds13

About 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine

9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine (PubChem CID 158871700) has the molecular formula C94H70N8 and a molecular weight of 1311.65 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine
PubChem CID158871700
Molecular FormulaC94H70N8
Molecular Weight1311.65 g/mol
Exact Mass1310.57
IUPAC Name9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine
SMILESCc1cc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H32N4.C31H24N2.C17H14N2/c1-5-15-33(16-6-1)42-32-43(48-46(47-42)35-17-7-2-8-18-35)34-25-27-38(28-26-34)50-44-24-14-13-23-40(44)41-31-39(29-30-45(41)50)49(36-19-9-3-10-20-36)37-21-11-4-12-22-37;1-23-16-18-26(19-17-23)33-30-15-9-8-14-28(30)29-22-27(20-21-31(29)33)32(24-10-4-2-5-11-24)25-12-6-3-7-13-25;1-13-12-16(14-8-4-2-5-9-14)19-17(18-13)15-10-6-3-7-11-15/h1-32H;2-22H,1H3;2-12H,1H3
InChIKeyJBXQTADTCJYRRU-UHFFFAOYSA-N
XLogP24.73
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001311.65
LogP ≤ 524.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine with MolForge

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Related Compounds

9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730632
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730642
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730689
4-[4-phenyl-6-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]benzonitrile
CID 126730725
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 126730253
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730142
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730144
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
CID 126730673
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730276
4-(4-cyano-N-[9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]anilino)benzonitrile
CID 126734391
2-(2,6-diphenylpyrimidin-4-yl)-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 126730724

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine (CID 158871700) is 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine is Cc1cc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine?
The InChIKey is JBXQTADTCJYRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4.C31H24N2.C17H14N2/c1-5-15-33(16-6-1)42-32-43(48-46(47-42)35-17-7-2-8-18-35)34-25-27-38(28-26-34)50-44-24-14-13-23-40(44)41-31-39(29-30-45(41)50)49(36-19-9-3-10-20-36)37-21-11-4-12-22-37;1-23-16-18-26(19-17-23)33-30-15-9-8-14-28(30)29-22-27(20-21-31(29)33)32(24-10-4-2-5-11-24)25-12-6-3-7-13-25;1-13-12-16(14-8-4-2-5-9-14)19-17(18-13)15-10-6-3-7-11-15/h1-32H;2-22H,1H3;2-12H,1H3.
What are the key properties of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine?
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine has a molecular weight of 1311.65 g/mol, XLogP of 24.73, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N,N-diphenylcarbazol-3-amine;4-methyl-2,6-diphenylpyrimidine;9-(4-methylphenyl)-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 158871700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).